CID 46937128

7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine

Structural Information

Molecular Formula
C17H15N5
SMILES
C1C=CCN1C2=C(C=C3C=NC(=NC3=N2)N)C4=CC=CC=C4
InChI
InChI=1S/C17H15N5/c18-17-19-11-13-10-14(12-6-2-1-3-7-12)16(20-15(13)21-17)22-8-4-5-9-22/h1-7,10-11H,8-9H2,(H2,18,19,20,21)
InChIKey
QFWNOFXQNCLFBC-UHFFFAOYSA-N
Compound name
7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.13275 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14003 167.5
[M+Na]+ 312.12197 176.5
[M-H]- 288.12547 172.8
[M+NH4]+ 307.16657 179.4
[M+K]+ 328.09591 169.2
[M+H-H2O]+ 272.13001 155.9
[M+HCOO]- 334.13095 186.2
[M+CH3COO]- 348.14660 177.8
[M+Na-2H]- 310.10742 172.8
[M]+ 289.13220 164.7
[M]- 289.13330 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe